Mapping the Molecular Universe: Exploring Chemical Compound Space by Multiscale High-Throughput Screening and Machine Learning
J. Chem. Inf. Model. 66 (2026)
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@article{Soares_2026, title={Mapping the Molecular Universe: Exploring Chemical Compound Space by Multiscale High-Throughput Screening and Machine Learning}, volume={66}, ISSN={1549-960X}, url={http://dx.doi.org/10.1021/acs.jcim.6c01719}, DOI={10.1021/acs.jcim.6c01719}, number={12}, journal={Journal of Chemical Information and Modeling}, publisher={American Chemical Society (ACS)}, author={Soares, Thereza A. and Nunes-Alves, Ariane and Bereau, Tristan and Friederich, Pascal and Gryn’ova, Ganna and Müller, Carolin and Wade, Rebecca C. and Merz, Kenneth}, year={2026}, month=June, pages={6809–6813} }